1-(2-methylpropanoyl)piperidine-4-carboximidamide

C10H19N3O — CID 99975645

IUPAC1-(2-methylpropanoyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C10H19N3O/c1-7(2)10(14)13-5-3-8(4-6-13)9(11)12/h7-8H,3-6H2,1-2H3,(H3,11,12)
InChIKeyJTSSWZLJOFBPQP-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.82
Rot. Bonds2

About 1-(2-methylpropanoyl)piperidine-4-carboximidamide

1-(2-methylpropanoyl)piperidine-4-carboximidamide (PubChem CID 99975645) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)piperidine-4-carboximidamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)piperidine-4-carboximidamide
PubChem CID99975645
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(2-methylpropanoyl)piperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(C(=O)C(C)C)CC1
InChIInChI=1S/C10H19N3O/c1-7(2)10(14)13-5-3-8(4-6-13)9(11)12/h7-8H,3-6H2,1-2H3,(H3,11,12)
InChIKeyJTSSWZLJOFBPQP-UHFFFAOYSA-N
XLogP0.82
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,2-Trifluoroacetyl)piperidine-4-carboximidamide
CID 165948917
N'-[(1-butanoylpiperidin-3-yl)methyl]ethanimidamide
CID 53844572
1-(2-Methylpropanimidoyl)piperidine-4-carboxamide
CID 57640410
1-Ethanimidoylpiperidine-4-carboxamide
CID 60085603
Acetic acid;4-(2-amino-2-iminoethyl)piperidine-1-carboxylic acid
CID 67156084
1-Acetylpiperidine-4-carboximidamide
CID 71432920
1-acetyl-N'-hydroxypiperidine-4-carboximidamide
CID 73852023
Acetyl 4-(2-amino-2-iminoethyl)piperidine-1-carboxylate
CID 87290077
1-Propanoylpiperidine-4-carboximidamide
CID 89145196
N-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide
CID 90084974
CID 124488260
CID 124488260
N-(3-amino-3-iminopropyl)piperidine-4-carboxamide
CID 130388646

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)piperidine-4-carboximidamide?
The IUPAC name of 1-(2-methylpropanoyl)piperidine-4-carboximidamide (CID 99975645) is 1-(2-methylpropanoyl)piperidine-4-carboximidamide.
What is the SMILES notation for 1-(2-methylpropanoyl)piperidine-4-carboximidamide?
The canonical SMILES for 1-(2-methylpropanoyl)piperidine-4-carboximidamide is [H]/N=C(\N)C1CCN(C(=O)C(C)C)CC1.
What is the InChIKey of 1-(2-methylpropanoyl)piperidine-4-carboximidamide?
The InChIKey is JTSSWZLJOFBPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(2)10(14)13-5-3-8(4-6-13)9(11)12/h7-8H,3-6H2,1-2H3,(H3,11,12).
What are the key properties of 1-(2-methylpropanoyl)piperidine-4-carboximidamide?
1-(2-methylpropanoyl)piperidine-4-carboximidamide has a molecular weight of 197.28 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)piperidine-4-carboximidamide is sourced from PubChem (CID 99975645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).